CID 24752963
950666-26-9
Structural Information
- Molecular Formula
- C17H21ClN4O2
- SMILES
- CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)Cl
- InChI
- InChI=1S/C17H21ClN4O2/c1-17(2,3)24-16(23)22-10-8-21(9-11-22)14-12-6-4-5-7-13(12)19-15(18)20-14/h4-7H,8-11H2,1-3H3
- InChIKey
- ZBSOMMYUMAVBCI-UHFFFAOYSA-N
- Compound name
- tert-butyl 4-(2-chloroquinazolin-4-yl)piperazine-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.14258 | 184.5 |
[M+Na]+ | 371.12452 | 191.8 |
[M-H]- | 347.12802 | 185.8 |
[M+NH4]+ | 366.16912 | 193.8 |
[M+K]+ | 387.09846 | 186.3 |
[M+H-H2O]+ | 331.13256 | 173.8 |
[M+HCOO]- | 393.13350 | 190.9 |
[M+CH3COO]- | 407.14915 | 210.4 |
[M+Na-2H]- | 369.10997 | 188.0 |
[M]+ | 348.13475 | 184.8 |
[M]- | 348.13585 | 184.8 |
Literature stripe
No literature data available for this compound.